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Compile Data Set for Download or QSAR

Found 505 hits with Last Name = 'tseng' and Initial = 'yj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389234
PNG
(CHEMBL2063324)
Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
Show InChI InChI=1S/C31H33N5O4/c37-30(26-12-14-27(15-13-26)39-19-18-36-16-4-5-17-36)33-29-20-28(34-35-29)25-10-8-23(9-11-25)21-32-31(38)40-22-24-6-2-1-3-7-24/h1-3,6-15,20H,4-5,16-19,21-22H2,(H,32,38)(H2,33,34,35,37)
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n/an/a 1n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of FLT3 autophosphorylation in human MV4-11 cells after 2 hrs by Western blot analysis


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257317
PNG
((S)-1-((S)-2-amino-5-(isoindolin-2-yl)-5-oxopentan...)
Show SMILES N[C@@H](CCC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H22N4O2/c19-10-15-6-3-9-22(15)18(24)16(20)7-8-17(23)21-11-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-9,11-12,20H2/t15-,16-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434621
PNG
(CHEMBL2386796)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
Show InChI InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)
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n/an/a 2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389222
PNG
(CHEMBL2063336)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cccnc3)cc2)nc(C)n1
Show InChI InChI=1S/C27H31N9O2/c1-19-30-24(15-26(31-19)36-12-10-35(2)11-13-36)32-25-14-23(33-34-25)22-7-5-20(6-8-22)17-29-27(37)38-18-21-4-3-9-28-16-21/h3-9,14-16H,10-13,17-18H2,1-2H3,(H,29,37)(H2,30,31,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434614
PNG
(CHEMBL2386803)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C31H38N8O3/c1-31(2,3)26-18-28(37-42-26)34-30(41)32-19-21-5-9-23(10-6-21)25-17-27(36-35-25)33-29(40)24-11-7-22(8-12-24)20-39-15-13-38(4)14-16-39/h5-12,17-18H,13-16,19-20H2,1-4H3,(H2,32,34,37,41)(H2,33,35,36,40)
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n/an/a 4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389223
PNG
(CHEMBL2063337)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3cc(C)on3)cc2)nc(C)n1
Show InChI InChI=1S/C26H31N9O3/c1-17-12-21(33-38-17)16-37-26(36)27-15-19-4-6-20(7-5-19)22-13-24(32-31-22)30-23-14-25(29-18(2)28-23)35-10-8-34(3)9-11-35/h4-7,12-14H,8-11,15-16H2,1-3H3,(H,27,36)(H2,28,29,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257435
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(3-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-23-22-12-9-24(6-7-26(12)15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257374
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(3,4-dihydroi...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H24N4O2/c20-12-16-6-3-10-23(16)19(25)17(21)7-8-18(24)22-11-9-14-4-1-2-5-15(14)13-22/h1-2,4-5,16-17H,3,6-11,13,21H2/p+1/t16-,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320120
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)
Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434629
PNG
(CHEMBL2386788)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)cc1
Show InChI InChI=1S/C26H28N8O3/c1-17-15-24(32-37-17)29-26(36)27-20-7-3-18(4-8-20)22-16-23(31-30-22)28-25(35)19-5-9-21(10-6-19)34-13-11-33(2)12-14-34/h3-10,15-16H,11-14H2,1-2H3,(H2,27,29,32,36)(H2,28,30,31,35)
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349015
PNG
(CHEMBL1807483)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nc(C)n1
Show InChI InChI=1S/C25H28N8O2S/c1-18-26-23(17-25(27-18)33-13-11-32(2)12-14-33)28-24-16-22(29-30-24)19-7-6-8-20(15-19)31-36(34,35)21-9-4-3-5-10-21/h3-10,15-17,31H,11-14H2,1-2H3,(H2,26,27,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256766
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(2-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2cc(nc2C1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H21F3N6O2/c18-17(19,20)13-9-24-6-7-25(10-14(24)23-13)15(27)4-3-12(22)16(28)26-5-1-2-11(26)8-21/h9,11-12H,1-7,10,22H2/p+1/t11-,12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257433
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(4,5-dihydrot...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCc2ccsc2C1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H22N4O2S/c18-10-13-2-1-7-21(13)17(23)14(19)3-4-16(22)20-8-5-12-6-9-24-15(12)11-20/h6,9,13-14H,1-5,7-8,11,19H2/p+1/t13-,14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389233
PNG
(CHEMBL2063323)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C30H32N6O3/c1-35-15-17-36(18-16-35)26-13-11-25(12-14-26)29(37)32-28-19-27(33-34-28)24-9-7-22(8-10-24)20-31-30(38)39-21-23-5-3-2-4-6-23/h2-14,19H,15-18,20-21H2,1H3,(H,31,38)(H2,32,33,34,37)
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349004
PNG
(CHEMBL1807469)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C28H30N6O3S/c1-20-5-3-8-25(17-20)38(36,37)32-23-7-4-6-22(18-23)26-19-27(31-30-26)29-28(35)21-9-11-24(12-10-21)34-15-13-33(2)14-16-34/h3-12,17-19,32H,13-16H2,1-2H3,(H2,29,30,31,35)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349013
PNG
(CHEMBL1807478)
Show SMILES O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H29N5O4S/c34-28(21-11-13-24(14-12-21)37-18-17-33-15-4-5-16-33)29-27-20-26(30-31-27)22-7-6-8-23(19-22)32-38(35,36)25-9-2-1-3-10-25/h1-3,6-14,19-20,32H,4-5,15-18H2,(H2,29,30,31,34)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256830
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-((S)-2-(metho...)
Show SMILES COC[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H26N4O3/c1-23-11-13-5-3-8-19(13)15(21)7-6-14(18)16(22)20-9-2-4-12(20)10-17/h12-14H,2-9,11,18H2,1H3/p+1/t12-,13-,14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389235
PNG
(CHEMBL2063325)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C31H34N6O3/c1-36-15-17-37(18-16-36)21-24-9-13-27(14-10-24)30(38)33-29-19-28(34-35-29)26-11-7-23(8-12-26)20-32-31(39)40-22-25-5-3-2-4-6-25/h2-14,19H,15-18,20-22H2,1H3,(H,32,39)(H2,33,34,35,38)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257434
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(5,6-dihydro-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2cnnc2C1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H21N7O2/c16-8-11-2-1-5-22(11)15(24)12(17)3-4-14(23)20-6-7-21-10-18-19-13(21)9-20/h10-12H,1-7,9,17H2/p+1/t11-,12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256767
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(py...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C14H22N4O2/c15-10-11-4-3-9-18(11)14(20)12(16)5-6-13(19)17-7-1-2-8-17/h11-12H,1-9,16H2/p+1/t11-,12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389228
PNG
(CHEMBL2063319)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C29H30N6O3/c1-34-15-17-35(18-16-34)25-13-9-23(10-14-25)28(36)31-27-19-26(32-33-27)22-7-11-24(12-8-22)30-29(37)38-20-21-5-3-2-4-6-21/h2-14,19H,15-18,20H2,1H3,(H,30,37)(H2,31,32,33,36)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434623
PNG
(CHEMBL2386794)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C30H36N8O3/c1-30(2,3)25-18-27(36-41-25)33-29(40)31-23-11-9-21(10-12-23)24-17-26(35-34-24)32-28(39)22-7-5-20(6-8-22)19-38-15-13-37(4)14-16-38/h5-12,17-18H,13-16,19H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256877
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(4-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCN(CC1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H22F3N5O3/c17-16(18,19)15(27)23-8-6-22(7-9-23)13(25)4-3-12(21)14(26)24-5-1-2-11(24)10-20/h11-12H,1-9,21H2/p+1/t11-,12-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256935
PNG
((2S,3R)-1-((S)-2-cyanopyrrolidin-1-yl)-3-methyl-1,...)
Show SMILES C[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H22F3N7O2/c1-10(14(22)15(29)26-4-2-3-11(26)8-21)7-13(28)25-5-6-27-12(9-25)23-24-16(27)17(18,19)20/h10-11,14H,2-7,9,22H2,1H3/p+1/t10-,11+,14+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349002
PNG
(CHEMBL1807467)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C27H27ClN6O3S/c1-33-12-14-34(15-13-33)23-10-8-19(9-11-23)27(35)29-26-18-25(30-31-26)20-4-2-6-22(16-20)32-38(36,37)24-7-3-5-21(28)17-24/h2-11,16-18,32H,12-15H2,1H3,(H2,29,30,31,35)
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434620
PNG
(CHEMBL2386797)
Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1)Nc1ccccc1
Show InChI InChI=1S/C30H32N6O4/c37-29(24-10-12-26(13-11-24)40-19-16-36-14-17-39-18-15-36)33-28-20-27(34-35-28)23-8-6-22(7-9-23)21-31-30(38)32-25-4-2-1-3-5-25/h1-13,20H,14-19,21H2,(H2,31,32,38)(H2,33,34,35,37)
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n/an/a 9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256765
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(2-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2nc(nc2C1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-22-12-9-24(6-7-26(12)23-15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434627
PNG
(CHEMBL2386790)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)c(C)c1
Show InChI InChI=1S/C27H30N8O3/c1-17-14-20(6-9-22(17)28-27(37)30-25-15-18(2)38-33-25)23-16-24(32-31-23)29-26(36)19-4-7-21(8-5-19)35-12-10-34(3)11-13-35/h4-9,14-16H,10-13H2,1-3H3,(H2,28,30,33,37)(H2,29,31,32,36)
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n/an/a 9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389234
PNG
(CHEMBL2063324)
Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
Show InChI InChI=1S/C31H33N5O4/c37-30(26-12-14-27(15-13-26)39-19-18-36-16-4-5-17-36)33-29-20-28(34-35-29)25-10-8-23(9-11-25)21-32-31(38)40-22-24-6-2-1-3-7-24/h1-3,6-15,20H,4-5,16-19,21-22H2,(H,32,38)(H2,33,34,35,37)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389234
PNG
(CHEMBL2063324)
Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
Show InChI InChI=1S/C31H33N5O4/c37-30(26-12-14-27(15-13-26)39-19-18-36-16-4-5-17-36)33-29-20-28(34-35-29)25-10-8-23(9-11-25)21-32-31(38)40-22-24-6-2-1-3-7-24/h1-3,6-15,20H,4-5,16-19,21-22H2,(H,32,38)(H2,33,34,35,37)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320120
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)
Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256768
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(th...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C13H20N4O2S/c14-8-10-2-1-5-17(10)13(19)11(15)3-4-12(18)16-6-7-20-9-16/h10-11H,1-7,9,15H2/p+1/t10-,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349022
PNG
(CHEMBL1807789)
Show SMILES Cc1nc(NCCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Show InChI InChI=1S/C27H32N8O3S/c1-20-29-25(28-11-6-12-35-13-15-38-16-14-35)19-26(30-20)31-27-18-24(32-33-27)21-7-5-8-22(17-21)34-39(36,37)23-9-3-2-4-10-23/h2-5,7-10,17-19,34H,6,11-16H2,1H3,(H3,28,29,30,31,32,33)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389224
PNG
(CHEMBL2063338)
Show SMILES Cc1nc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H34N8O3/c1-21-31-26(18-28(32-21)37-13-11-36(12-14-37)15-16-38)33-27-17-25(34-35-27)24-9-7-22(8-10-24)19-30-29(39)40-20-23-5-3-2-4-6-23/h2-10,17-18,38H,11-16,19-20H2,1H3,(H,30,39)(H2,31,32,33,34,35)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257318
PNG
((S)-1-((S)-2-amino-6-(isoindolin-2-yl)-6-oxohexano...)
Show SMILES N[C@@H](CCCC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H24N4O2/c20-11-16-7-4-10-23(16)19(25)17(21)8-3-9-18(24)22-12-14-5-1-2-6-15(14)13-22/h1-2,5-6,16-17H,3-4,7-10,12-13,21H2/t16-,17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349018
PNG
(CHEMBL1807785)
Show SMILES Cc1nc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc(n1)N1CCC(O)CC1
Show InChI InChI=1S/C25H27N7O3S/c1-17-26-23(16-25(27-17)32-12-10-20(33)11-13-32)28-24-15-22(29-30-24)18-6-5-7-19(14-18)31-36(34,35)21-8-3-2-4-9-21/h2-9,14-16,20,31,33H,10-13H2,1H3,(H2,26,27,28,29,30)
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256880
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(cyclopentyla...)
Show SMILES [NH3+][C@@H](CCC(=O)NC1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H24N4O2/c16-10-12-6-3-9-19(12)15(21)13(17)7-8-14(20)18-11-4-1-2-5-11/h11-13H,1-9,17H2,(H,18,20)/p+1/t12-,13-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349001
PNG
(CHEMBL1807392)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O3S/c1-32-14-16-33(17-15-32)23-12-10-20(11-13-23)27(34)28-26-19-25(29-30-26)21-6-5-7-22(18-21)31-37(35,36)24-8-3-2-4-9-24/h2-13,18-19,31H,14-17H2,1H3,(H2,28,29,30,34)
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n/an/a 11n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50389229
PNG
(CHEMBL2063318)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C28H28N6O3/c1-33-15-17-34(18-16-33)23-13-9-21(10-14-23)27(35)30-26-19-25(31-32-26)20-7-11-22(12-8-20)29-28(36)37-24-5-3-2-4-6-24/h2-14,19H,15-18H2,1H3,(H,29,36)(H2,30,31,32,35)
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3


Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256986
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(isoindolin-2...)
Show SMILES CC(C)(CC(=O)N1Cc2ccccc2C1)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H26N4O2/c1-20(2,18(22)19(26)24-9-5-8-16(24)11-21)10-17(25)23-12-14-6-3-4-7-15(14)13-23/h3-4,6-7,16,18H,5,8-10,12-13,22H2,1-2H3/p+1/t16-,18+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256937
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-3,3-dimethyl-1,...)
Show SMILES CC(C)(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H24F3N7O2/c1-17(2,14(23)15(30)27-5-3-4-11(27)9-22)8-13(29)26-6-7-28-12(10-26)24-25-16(28)18(19,20)21/h11,14H,3-8,10,23H2,1-2H3/p+1/t11-,14+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434616
PNG
(CHEMBL2386801)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Nc2cc(C)on2)cc1
Show InChI InChI=1S/C27H30N8O3/c1-18-15-25(33-38-18)30-27(37)28-17-19-3-5-20(6-4-19)23-16-24(32-31-23)29-26(36)21-7-9-22(10-8-21)35-13-11-34(2)12-14-35/h3-10,15-16H,11-14,17H2,1-2H3,(H2,28,30,33,37)(H2,29,31,32,36)
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50434605
PNG
(CHEMBL2386812)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H29N7O2/c1-34-15-17-35(18-16-34)24-13-9-21(10-14-24)27(36)31-26-19-25(32-33-26)20-7-11-23(12-8-20)30-28(37)29-22-5-3-2-4-6-22/h2-14,19H,15-18H2,1H3,(H2,29,30,37)(H2,31,32,33,36)
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257042
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-3,3-dimethyl-5-...)
Show SMILES C[C@@H]1CCCN1C(=O)CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H28N4O2/c1-12-6-4-8-20(12)14(22)10-17(2,3)15(19)16(23)21-9-5-7-13(21)11-18/h12-13,15H,4-10,19H2,1-3H3/p+1/t12-,13+,15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349001
PNG
(CHEMBL1807392)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H28N6O3S/c1-32-14-16-33(17-15-32)23-12-10-20(11-13-23)27(34)28-26-19-25(29-30-26)21-6-5-7-22(18-21)31-37(35,36)24-8-3-2-4-9-24/h2-13,18-19,31H,14-17H2,1H3,(H2,28,29,30,34)
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320110
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)
Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
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